N-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide

C16H19N3O6 — CID 130207676

IUPACN-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide
SMILESCNC(=O)C(NC(=O)c1ccc(C#CC(CO)OC)cc1)C(=O)NO
InChIInChI=1S/C16H19N3O6/c1-17-15(22)13(16(23)19-24)18-14(21)11-6-3-10(4-7-11)5-8-12(9-20)25-2/h3-4,6-7,12-13,20,24H,9H2,1-2H3,(H,17,22)(H,18,21)(H,19,23)
InChIKeyLBMCPSPWKGUPPM-UHFFFAOYSA-N
MW349.34 g/mol
LogP-1.60
Rot. Bonds6

About N-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide

N-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide (PubChem CID 130207676) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is N-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide.

Molecular Properties

Compound NameN-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide
PubChem CID130207676
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC NameN-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide
SMILESCNC(=O)C(NC(=O)c1ccc(C#CC(CO)OC)cc1)C(=O)NO
InChIInChI=1S/C16H19N3O6/c1-17-15(22)13(16(23)19-24)18-14(21)11-6-3-10(4-7-11)5-8-12(9-20)25-2/h3-4,6-7,12-13,20,24H,9H2,1-2H3,(H,17,22)(H,18,21)(H,19,23)
InChIKeyLBMCPSPWKGUPPM-UHFFFAOYSA-N
XLogP-1.60
TPSA136.99 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 5-1.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(5,6-dihydroxyhexa-1,3-diynyl)benzoyl]amino]-N-hydroxy-N'-methylpropanediamide
CID 118659416
4-[2-[4-(2-hydroxyethylamino)phenyl]ethynyl]-N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]benzamide
CID 147516799
N-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide
CID 89413177
4-(5,6-dihydroxyhexa-1,3-diynyl)-N-[1-(hydroxyamino)-3-methyl-3-(methylamino)-1-oxobutan-2-yl]benzamide
CID 118161276
methyl 2-[(4-iodobenzoyl)amino]-3-(methylamino)-3-oxopropanoate
CID 71268189
4-(5,6-dihydroxyhexa-1,3-diynyl)-N-[3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 118161145
N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide
CID 89413216
N-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide
CID 130207684
N-[(2S)-4,4-difluoro-1-(hydroxyamino)-3-methoxy-3-methyl-1-oxobutan-2-yl]-4-[2-[4-(methylcarbamoylamino)phenyl]ethynyl]benzamide
CID 130347759
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[2-(4-methylphenyl)ethynyl]benzamide;methane
CID 159738618
N-[(2S)-1-(hydroxyamino)-3-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]-1-oxopropan-2-yl]-4-(2-phenylethynyl)benzamide
CID 59697103
N-[1-(1-acetyl-3-methoxyazetidin-3-yl)-2-(hydroxyamino)-2-oxoethyl]-4-(4-hydroxybut-1-ynyl)benzamide;ethene
CID 145425431

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide?
The IUPAC name of N-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide (CID 130207676) is N-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide.
What is the SMILES notation for N-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide?
The canonical SMILES for N-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide is CNC(=O)C(NC(=O)c1ccc(C#CC(CO)OC)cc1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide?
The InChIKey is LBMCPSPWKGUPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6/c1-17-15(22)13(16(23)19-24)18-14(21)11-6-3-10(4-7-11)5-8-12(9-20)25-2/h3-4,6-7,12-13,20,24H,9H2,1-2H3,(H,17,22)(H,18,21)(H,19,23).
What are the key properties of N-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide?
N-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide has a molecular weight of 349.34 g/mol, XLogP of -1.60, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide is sourced from PubChem (CID 130207676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).